N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide

C21H15BrN2O4 — CID 1362317

IUPACN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1
InChIInChI=1S/C21H15BrN2O4/c22-13-5-8-15(9-6-13)27-12-20(26)23-14-7-10-16(18(25)11-14)21-24-17-3-1-2-4-19(17)28-21/h1-11,25H,12H2,(H,23,26)
InChIKeyLSAUTSPJNXCAKG-UHFFFAOYSA-N
MW439.27 g/mol
LogP4.98
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide (PubChem CID 1362317) has the molecular formula C21H15BrN2O4 and a molecular weight of 439.27 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
PubChem CID1362317
Molecular FormulaC21H15BrN2O4
Molecular Weight439.27 g/mol
Exact Mass438.02
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1
InChIInChI=1S/C21H15BrN2O4/c22-13-5-8-15(9-6-13)27-12-20(26)23-14-7-10-16(18(25)11-14)21-24-17-3-1-2-4-19(17)28-21/h1-11,25H,12H2,(H,23,26)
InChIKeyLSAUTSPJNXCAKG-UHFFFAOYSA-N
XLogP4.98
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-phenoxyacetamide
CID 1123594
N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-2-phenoxyacetamide
CID 1207653
N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide
CID 25239404
2-(4-bromophenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135625532
2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241506
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-bromobenzamide
CID 2263361
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 23741815
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 23939099
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 17117236
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 2282003

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide (CID 1362317) is N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide?
The InChIKey is LSAUTSPJNXCAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O4/c22-13-5-8-15(9-6-13)27-12-20(26)23-14-7-10-16(18(25)11-14)21-24-17-3-1-2-4-19(17)28-21/h1-11,25H,12H2,(H,23,26).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide?
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide has a molecular weight of 439.27 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 1362317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).